alpha-Peltatin

(5aR,8aS,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Also Known As: alpha-Peltatin|alpha-Peltatin B|Artigenin congener|Dibenzylbutyrolactone lignanolide|(5aR,8aS,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one|(10R,11S,15R)-2-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one|(5aR,8aS,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one|(5R)-5,8,8abeta,9-Tetrahydro-10-hydroxy-5beta-(4-hydroxy-3,5-dimethoxyphenyl)furo[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxol-6(5abetaH)-one|(5R,5aS,8aR)-5,8,8a,9-Tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one|(5R,5aS,8aR)-5,8,8a,9-Tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one|(5R,5aS,8aR)-5,8,8a,9-Tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3a(2),4a(2):6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one|Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-

Molecular Formula	C21H20O8
Molecular Weight	400.1158 g/mol
LogP	2.6
Topological Polar Surface Area	104.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	400.1158
Monoisotopic Mass	400.1158
Heavy Atoms	29
Complexity	614.0

Chemical Identifiers

CAS Number	477-46-3
SMILES	COC1=CC(=CC(=C1O)OC)[C@H]2[C@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O
InChIKey	JGGWNGRBXJWAOC-LZVXQISVSA-N